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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

11976562
11976562

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Popular Name: 3-[[[(1R)-1-(2-furyl)ethyl]-methyl-amino]methyl]-1-[2-(1-piperidyl)ethyl]-7,8-dihydro-6H-cyclopenta[ 3-[[[(1R)-1-(2-furyl)ethyl]-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.95 3.11 -84.17 2 5 2 44 435.612 7 ↓

Analogs

11976555
11976555

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Popular Name: 3-[[[(1S)-1-(2-furyl)ethyl]-methyl-amino]methyl]-1-[2-(1-piperidyl)ethyl]-7,8-dihydro-6H-cyclopenta[ 3-[[[(1S)-1-(2-furyl)ethyl]-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.95 2.9 -84.11 2 5 2 44 435.612 7 ↓

Analogs

14888236
14888236

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Popular Name: 3-[(isopropylamino)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-cyclopenta[g]quinoli 3-[(isopropylamino)methyl]-1-[[3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.70 2.6 -37.86 2 3 1 39 415.479 6 ↓

Analogs

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Popular Name: 3-[[isoxazol-5-ylmethyl(methyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one 3-[[isoxazol-5-ylmethyl(methyl)a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.41 8.26 -44.72 2 5 1 63 310.377 4 ↓
Mid Mid (pH 6-8) 1.41 5.93 -12.22 1 5 0 62 309.369 4 ↓

Analogs

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Popular Name: 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one 3-[(1,1-dioxo-1,4-thiazinan-4-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.55 3.19 -16.18 1 5 0 70 332.425 2 ↓
Lo Low (pH 4.5-6) 0.55 5.3 -54.48 2 5 1 71 333.433 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(2-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinolin-3-yl)methyl]-4-piperidyl]methanesulfonamide N-[1-[(2-oxo-1,6,7,8-tetrahydroc…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.84 5.13 -53.68 3 6 1 83 376.502 4 ↓
Hi High (pH 8-9.5) 0.84 2.87 -18.01 2 6 0 82 375.494 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3R)-3-(dimethylamino)-1-piperidyl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one 3-[[(3R)-3-(dimethylamino)-1-pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.71 7.55 -35.84 2 4 1 41 326.464 3 ↓
Hi High (pH 8-9.5) 1.71 5.31 -7.87 1 4 0 39 325.456 3 ↓
Mid Mid (pH 6-8) 1.71 7.94 -40.09 2 4 1 41 326.464 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3S)-3-(dimethylamino)-1-piperidyl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one 3-[[(3S)-3-(dimethylamino)-1-pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.71 7.8 -36.51 2 4 1 41 326.464 3 ↓
Hi High (pH 8-9.5) 1.71 5.57 -9.48 1 4 0 39 325.456 3 ↓
Mid Mid (pH 6-8) 1.71 8.01 -37.62 2 4 1 41 326.464 3 ↓

Analogs

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Popular Name: 3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one 3-[(3,3-difluoropyrrolidin-1-yl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.06 6.2 -8.21 1 3 0 36 304.34 2 ↓

Analogs

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Popular Name: 3-[[[(1S)-1-isoxazol-3-ylethyl]-methyl-amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one 3-[[[(1S)-1-isoxazol-3-ylethyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 8.63 -44.77 2 5 1 63 324.404 4 ↓
Mid Mid (pH 6-8) 1.97 6.31 -14.27 1 5 0 62 323.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1R)-1-isoxazol-3-ylethyl]-methyl-amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one 3-[[[(1R)-1-isoxazol-3-ylethyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 8.62 -41.9 2 5 1 63 324.404 4 ↓
Mid Mid (pH 6-8) 1.97 6.38 -15.51 1 5 0 62 323.396 4 ↓

Analogs

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Popular Name: 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one 3-[[(3S)-3-hydroxypyrrolidin-1-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.77 5.22 -36.5 3 4 1 58 285.367 2 ↓
Hi High (pH 8-9.5) 0.77 2.72 -10.67 2 4 0 56 284.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one 3-[[(3S)-3-(hydroxymethyl)-1-pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 6.52 -39.67 3 4 1 58 313.421 3 ↓
Hi High (pH 8-9.5) 1.43 4.3 -11.45 2 4 0 56 312.413 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3R)-3-(hydroxymethyl)-1-piperidyl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one 3-[[(3R)-3-(hydroxymethyl)-1-pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 6.46 -38.82 3 4 1 58 313.421 3 ↓
Hi High (pH 8-9.5) 1.43 4.24 -10.1 2 4 0 56 312.413 3 ↓

Parameters Provided:

ring.id = 63030
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 63030 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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